3-(2-aminoquinoxalin-6-yl)butanal

C12H13N3O — CID 117306806

IUPAC3-(2-aminoquinoxalin-6-yl)butanal
SMILESCC(CC=O)c1ccc2nc(N)cnc2c1
InChIInChI=1S/C12H13N3O/c1-8(4-5-16)9-2-3-10-11(6-9)14-7-12(13)15-10/h2-3,5-8H,4H2,1H3,(H2,13,15)
InChIKeyOJYMNDJGOZGODH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.90
Rot. Bonds3

About 3-(2-aminoquinoxalin-6-yl)butanal

3-(2-aminoquinoxalin-6-yl)butanal (PubChem CID 117306806) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(2-aminoquinoxalin-6-yl)butanal.

Molecular Properties

Compound Name3-(2-aminoquinoxalin-6-yl)butanal
PubChem CID117306806
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(2-aminoquinoxalin-6-yl)butanal
SMILESCC(CC=O)c1ccc2nc(N)cnc2c1
InChIInChI=1S/C12H13N3O/c1-8(4-5-16)9-2-3-10-11(6-9)14-7-12(13)15-10/h2-3,5-8H,4H2,1H3,(H2,13,15)
InChIKeyOJYMNDJGOZGODH-UHFFFAOYSA-N
XLogP1.90
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoquinoxalin-6-yl)ethanol
CID 117281448
(3R)-3-quinolin-7-ylbutanal
CID 59922967
3-(3-amino-4-bromophenyl)butanal
CID 117107539
3-(4-aminophenyl)butanal
CID 143206837
1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
CID 117311096
6-(2-aminopropyl)quinoxalin-2-amine
CID 117291052
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)butanal
CID 117362928
3-(1,2,3-benzothiadiazol-5-yl)butanal
CID 117294869
6-N,6-N-dimethylquinoxaline-2,6-diamine
CID 119094969
6-methylquinoxalin-2-amine;2,2,2-trifluoroacetic acid
CID 66724598
3-(4-iodophenyl)butanal
CID 101197273
3-(3-chloro-4-hydroxyphenyl)butanal
CID 117288100

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoquinoxalin-6-yl)butanal?
The IUPAC name of 3-(2-aminoquinoxalin-6-yl)butanal (CID 117306806) is 3-(2-aminoquinoxalin-6-yl)butanal.
What is the SMILES notation for 3-(2-aminoquinoxalin-6-yl)butanal?
The canonical SMILES for 3-(2-aminoquinoxalin-6-yl)butanal is CC(CC=O)c1ccc2nc(N)cnc2c1.
What is the InChIKey of 3-(2-aminoquinoxalin-6-yl)butanal?
The InChIKey is OJYMNDJGOZGODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-8(4-5-16)9-2-3-10-11(6-9)14-7-12(13)15-10/h2-3,5-8H,4H2,1H3,(H2,13,15).
What are the key properties of 3-(2-aminoquinoxalin-6-yl)butanal?
3-(2-aminoquinoxalin-6-yl)butanal has a molecular weight of 215.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoquinoxalin-6-yl)butanal is sourced from PubChem (CID 117306806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).